UCSF

ZINC67726856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 3-[2-(2-hydroxyphenyl)-6-methyl-pyrimidin-4-yl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(2-hydroxyphenyl)-6-methyl-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 4.12 -55.33 4 7 1 95 354.434 2 ↓
Mid Mid (pH 6-8) 1.74 4.47 -86.6 5 7 2 96 355.442 2 ↓
Mid Mid (pH 6-8) 1.74 2.96 -12.49 3 7 0 90 353.426 2 ↓
Lo Low (pH 4.5-6) 1.74 5.47 -72.96 4 7 1 99 354.434 2 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.